data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.91 _LACS_plot.Line_2_terminator_val_y_2 6.32 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 GLN 4.59 -0.15 0 54 ILE -2.34 -4.55 0 138 PHE -7.68 -0.98 0 11 ALA 0.41 0.37 1 12 LYS 1.03 1.64 1 16 SER 0.55 0.52 1 17 ALA 0.77 0.73 1 18 LEU 1.00 0.82 1 19 ARG 1.21 0.91 1 20 ALA 0.41 0.37 1 21 LEU 0.89 0.75 1 22 LEU 0.55 0.34 1 23 GLU -0.13 0.31 1 24 HIS -0.45 1.13 1 25 LYS -0.40 -0.29 1 26 GLU -0.12 0.22 1 27 ASN 0.39 0.48 1 28 SER 0.05 0.09 1 29 SER 0.41 0.45 1 30 GLN 0.23 0.22 1 31 ASN -0.82 0.16 1 34 LEU 3.22 3.15 1 35 ALA 3.38 2.77 1 36 GLU 2.12 2.43 1 38 PHE 0.72 1.05 1 39 ALA 0.98 0.37 1 40 THR 2.12 0.90 1 41 PHE 3.64 2.04 1 42 SER 0.41 0.37 1 44 HIS 2.58 3.67 1 45 ALA 0.77 -0.19 1 46 GLU -2.55 -1.33 1 48 ASN 0.23 -0.79 1 49 ALA -0.82 0.30 1 50 LEU -0.57 -0.64 1 51 ARG 0.16 -0.23 1 52 LEU -7.30 -2.16 1 53 ASN -3.04 -0.74 1 55 TYR -2.39 -0.34 1 56 PHE -1.20 -0.84 1 58 SER 0.88 0.68 1 59 SER -1.80 0.45 1 60 GLU 1.62 1.89 1 61 SER 1.97 2.42 1 63 SER -0.17 0.12 1 64 LYS -2.54 -1.52 1 66 LEU -4.36 -1.38 1 67 PHE -0.06 0.13 1 68 VAL -5.90 -2.69 1 69 GLU -4.98 -2.59 1 70 LEU -7.20 -2.30 1 71 ARG 2.36 1.97 1 72 LYS 4.13 3.25 1 73 ASN 0.56 -0.76 1 74 VAL 0.74 0.48 1 75 LEU -1.74 -1.24 1 76 VAL 7.92 6.66 1 77 SER 6.25 4.54 1 79 ALA 2.11 2.14 1 80 ILE 6.16 5.57 1 82 TYR 4.43 4.78 1 83 ILE 6.18 5.43 1 84 LEU 1.11 2.37 1 85 LEU 3.73 2.61 1 86 GLN 3.99 2.23 1 87 TYR 4.27 3.60 1 88 VAL 4.26 4.04 1 89 ASN 3.69 2.74 1 90 GLN 2.88 1.21 1 91 GLN 4.53 0.63 1 92 LEU 4.52 1.17 1 93 VAL -3.32 -1.15 1 96 ILE 0.57 -0.23 1 97 GLU 0.83 0.38 1 98 ASP 5.31 4.82 1 99 GLU 2.71 2.20 1 100 ALA -1.29 -1.91 1 102 ASN -2.16 -0.56 1 104 ASN 3.07 2.01 1 105 TYR 2.37 1.52 1 106 TRP -5.24 -0.90 1 107 ASN -4.93 -1.57 1 108 LEU -3.91 -1.15 1 109 ARG -6.10 -3.23 1 110 ILE 1.11 1.04 1 111 VAL -4.96 -2.94 1 112 GLU -1.38 -0.97 1 113 ASP 3.06 2.61 1 114 ASP 0.34 -0.74 1 116 GLU -1.40 -1.00 1 117 LEU 1.09 1.02 1 118 ASP -1.11 -1.01 1 119 GLU 1.77 1.19 1 120 ASP 1.01 0.93 1 121 PHE -4.16 -1.30 1 123 ALA 1.00 0.48 1 124 LEU 1.22 0.66 1 125 ASP 0.34 1.22 1 126 ARG 3.06 2.75 1 127 VAL 0.60 -0.98 1 130 LEU 1.37 1.92 1 131 SER 2.81 2.14 1 132 LYS 2.21 1.39 1 133 PHE 2.06 1.68 1 135 PHE -3.96 -1.37 1 136 ASP -1.07 -0.26 1 137 ALA -5.11 -1.53 1 139 ALA -4.05 -2.90 1 140 LEU -2.51 -1.16 1 141 VAL -6.30 -3.24 1 142 LYS 2.22 1.27 1 143 ALA -0.16 0.73 1 146 ALA 3.58 2.68 1 147 GLN 4.03 2.41 1 148 ILE 5.25 4.79 1 149 LYS 4.12 3.45 1 150 GLU 2.59 2.78 1 151 ASN 4.77 2.89 1 152 GLN 2.58 2.48 1 153 ALA 2.03 1.24 1 154 ALA 0.56 0.87 1 155 TYR -0.86 -0.85 1 157 PHE -0.56 0.83 1 158 LYS -0.35 -0.21 1 159 SER 0.51 0.52 1 160 LYS 0.96 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 4.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.91 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 GLN 4.59 -4.74 0 54 ILE -2.34 -2.21 0 138 PHE -7.68 6.70 0 11 ALA 0.41 -0.04 1 12 LYS 1.03 0.61 1 16 SER 0.55 -0.03 1 17 ALA 0.77 -0.04 1 18 LEU 1.00 -0.18 1 19 ARG 1.21 -0.30 1 20 ALA 0.41 -0.04 1 21 LEU 0.89 -0.14 1 22 LEU 0.55 -0.21 1 23 GLU -0.13 0.44 1 24 HIS -0.45 1.58 1 25 LYS -0.40 0.11 1 26 GLU -0.12 0.34 1 27 ASN 0.39 0.09 1 28 SER 0.05 0.04 1 29 SER 0.41 0.04 1 30 GLN 0.23 -0.01 1 31 ASN -0.82 0.98 1 34 LEU 3.22 -0.07 1 35 ALA 3.38 -0.61 1 36 GLU 2.12 0.31 1 38 PHE 0.72 0.33 1 39 ALA 0.98 -0.61 1 40 THR 2.12 -1.22 1 41 PHE 3.64 -1.60 1 42 SER 0.41 -0.04 1 44 HIS 2.58 1.09 1 45 ALA 0.77 -0.96 1 46 GLU -2.55 1.22 1 48 ASN 0.23 -1.02 1 49 ALA -0.82 1.12 1 50 LEU -0.57 -0.07 1 51 ARG 0.16 -0.39 1 52 LEU -7.30 5.14 1 53 ASN -3.04 2.30 1 55 TYR -2.39 2.05 1 56 PHE -1.20 0.36 1 58 SER 0.88 -0.20 1 59 SER -1.80 2.25 1 60 GLU 1.62 0.27 1 61 SER 1.97 0.45 1 63 SER -0.17 0.29 1 64 LYS -2.54 1.02 1 66 LEU -4.36 2.98 1 67 PHE -0.06 0.19 1 68 VAL -5.90 3.21 1 69 GLU -4.98 2.39 1 70 LEU -7.20 4.90 1 71 ARG 2.36 -0.39 1 72 LYS 4.13 -0.88 1 73 ASN 0.56 -1.32 1 74 VAL 0.74 -0.26 1 75 LEU -1.74 0.50 1 76 VAL 7.92 -1.26 1 77 SER 6.25 -1.71 1 79 ALA 2.11 0.03 1 80 ILE 6.16 -0.59 1 82 TYR 4.43 0.35 1 83 ILE 6.18 -0.75 1 84 LEU 1.11 1.26 1 85 LEU 3.73 -1.12 1 86 GLN 3.99 -1.76 1 87 TYR 4.27 -0.67 1 88 VAL 4.26 -0.22 1 89 ASN 3.69 -0.95 1 90 GLN 2.88 -1.67 1 91 GLN 4.53 -3.90 1 92 LEU 4.52 -3.35 1 93 VAL -3.32 2.17 1 96 ILE 0.57 -0.80 1 97 GLU 0.83 -0.45 1 98 ASP 5.31 -0.49 1 99 GLU 2.71 -0.51 1 100 ALA -1.29 -0.62 1 102 ASN -2.16 1.60 1 104 ASN 3.07 -1.06 1 105 TYR 2.37 -0.85 1 106 TRP -5.24 4.34 1 107 ASN -4.93 3.36 1 108 LEU -3.91 2.76 1 109 ARG -6.10 2.87 1 110 ILE 1.11 -0.07 1 111 VAL -4.96 2.02 1 112 GLU -1.38 0.41 1 113 ASP 3.06 -0.45 1 114 ASP 0.34 -1.08 1 116 GLU -1.40 0.40 1 117 LEU 1.09 -0.07 1 118 ASP -1.11 0.10 1 119 GLU 1.77 -0.58 1 120 ASP 1.01 -0.08 1 121 PHE -4.16 2.86 1 123 ALA 1.00 -0.52 1 124 LEU 1.22 -0.56 1 125 ASP 0.34 0.88 1 126 ARG 3.06 -0.31 1 127 VAL 0.60 -1.58 1 130 LEU 1.37 0.55 1 131 SER 2.81 -0.67 1 132 LYS 2.21 -0.82 1 133 PHE 2.06 -0.38 1 135 PHE -3.96 2.59 1 136 ASP -1.07 0.81 1 137 ALA -5.11 3.58 1 139 ALA -4.05 1.15 1 140 LEU -2.51 1.35 1 141 VAL -6.30 3.06 1 142 LYS 2.22 -0.95 1 143 ALA -0.16 0.89 1 146 ALA 3.58 -0.90 1 147 GLN 4.03 -1.62 1 148 ILE 5.25 -0.46 1 149 LYS 4.12 -0.67 1 150 GLU 2.59 0.19 1 151 ASN 4.77 -1.88 1 152 GLN 2.58 -0.10 1 153 ALA 2.03 -0.79 1 154 ALA 0.56 0.31 1 155 TYR -0.86 0.01 1 157 PHE -0.56 1.39 1 158 LYS -0.35 0.14 1 159 SER 0.51 0.01 1 160 LYS 0.96 0.84 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.91 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 PHE -7.68 0.38 0 139 ALA -4.05 1.28 0 137 ALA -5.11 1.35 0 38 PHE 0.72 0.88 0 11 ALA 0.41 -0.06 1 12 LYS 1.03 -0.32 1 16 SER 0.55 -0.09 1 17 ALA 0.77 -0.06 1 18 LEU 1.00 -0.05 1 19 ARG 1.21 -0.14 1 20 ALA 0.41 -0.03 1 21 LEU 0.89 -0.05 1 22 LEU 0.55 -0.08 1 23 GLU -0.13 -0.14 1 24 HIS -0.45 -0.10 1 25 LYS -0.40 -0.03 1 26 GLU -0.12 -0.10 1 27 ASN 0.39 -0.02 1 28 SER 0.05 0.03 1 29 SER 0.41 -0.01 1 30 GLN 0.23 0.03 1 31 ASN -0.82 0.09 1 34 LEU 3.22 0.29 1 35 ALA 3.38 -0.15 1 36 GLU 2.12 -0.37 1 39 ALA 0.98 -0.12 1 40 THR 2.12 -0.24 1 41 PHE 3.64 -0.33 1 42 SER 0.41 -0.06 1 44 HIS 2.58 -0.27 1 45 ALA 0.77 -0.24 1 48 ASN 0.23 0.07 1 49 ALA -0.82 -0.06 1 50 LEU -0.57 0.13 1 51 ARG 0.16 0.50 1 52 LEU -7.30 0.76 1 53 ASN -3.04 0.57 1 54 ILE -2.34 0.89 1 55 TYR -2.39 -0.05 1 56 PHE -1.20 0.53 1 58 SER 0.88 0.17 1 59 SER -1.80 0.46 1 60 GLU 1.62 -0.05 1 63 SER -0.17 0.26 1 66 LEU -4.36 0.25 1 67 PHE -0.06 0.80 1 68 VAL -5.90 0.42 1 69 GLU -4.98 0.81 1 70 LEU -7.20 0.42 1 71 ARG 2.36 -0.21 1 72 LYS 4.13 -0.41 1 73 ASN 0.56 0.07 1 74 VAL 0.74 -0.04 1 75 LEU -1.74 0.51 1 76 VAL 7.92 -0.89 1 77 SER 6.25 -0.86 1 79 ALA 2.11 -0.54 1 80 ILE 6.16 -1.02 1 82 TYR 4.43 -0.55 1 83 ILE 6.18 -0.94 1 84 LEU 1.11 -0.88 1 85 LEU 3.73 -0.56 1 86 GLN 3.99 -0.36 1 87 TYR 4.27 -1.13 1 88 VAL 4.26 -0.46 1 89 ASN 3.69 -0.31 1 90 GLN 2.88 -0.14 1 91 GLN 4.53 -0.40 1 92 LEU 4.52 -0.46 1 93 VAL -3.32 -0.25 1 96 ILE 0.57 -0.17 1 97 GLU 0.83 -0.15 1 98 ASP 5.31 -0.61 1 99 GLU 2.71 -0.49 1 100 ALA -1.29 -0.66 1 101 GLN 4.59 -0.28 1 104 ASN 3.07 -0.15 1 105 TYR 2.37 -0.44 1 106 TRP -5.24 0.40 1 107 ASN -4.93 0.19 1 108 LEU -3.91 0.89 1 109 ARG -6.10 0.70 1 110 ILE 1.11 -0.25 1 111 VAL -4.96 0.52 1 112 GLU -1.38 0.10 1 113 ASP 3.06 -0.35 1 114 ASP 0.34 -0.17 1 116 GLU -1.40 -0.27 1 117 LEU 1.09 -0.34 1 118 ASP -1.11 0.12 1 119 GLU 1.77 -0.31 1 120 ASP 1.01 -0.18 1 123 ALA 1.00 -0.14 1 124 LEU 1.22 -0.43 1 125 ASP 0.34 -0.18 1 126 ARG 3.06 -0.44 1 127 VAL 0.60 0.37 1 130 LEU 1.37 -0.15 1 131 SER 2.81 -0.36 1 132 LYS 2.21 -0.28 1 133 PHE 2.06 -0.11 1 135 PHE -3.96 0.09 1 136 ASP -1.07 0.20 1 140 LEU -2.51 0.89 1 141 VAL -6.30 0.84 1 142 LYS 2.22 -0.86 1 143 ALA -0.16 -0.32 1 146 ALA 3.58 -0.29 1 147 GLN 4.03 -0.40 1 148 ILE 5.25 -0.80 1 149 LYS 4.12 -0.41 1 150 GLU 2.59 -0.31 1 151 ASN 4.77 -0.37 1 152 GLN 2.58 -0.08 1 153 ALA 2.03 -0.15 1 154 ALA 0.56 -0.08 1 157 PHE -0.56 -0.04 1 158 LYS -0.35 0.00 1 159 SER 0.51 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11546_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.68 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.84 _LACS_plot.Line_2_terminator_val_x_2 7.91 _LACS_plot.Line_2_terminator_val_y_2 2.30 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 41 PHE 3.64 -2.58 0 11 ALA 0.41 -0.27 1 12 LYS 1.03 1.18 1 16 SER 0.55 0.17 1 17 ALA 0.77 0.27 1 18 LEU 1.00 0.22 1 19 ARG 1.21 0.20 1 20 ALA 0.41 0.33 1 21 LEU 0.89 0.08 1 22 LEU 0.55 -0.15 1 23 GLU -0.13 -0.41 1 24 HIS -0.45 0.94 1 25 LYS -0.40 -0.16 1 26 GLU -0.12 -0.25 1 27 ASN 0.39 0.18 1 28 SER 0.05 0.21 1 29 SER 0.41 0.00 1 30 GLN 0.23 -0.56 1 31 ASN -0.82 1.40 1 34 LEU 3.22 1.01 1 35 ALA 3.38 2.40 1 38 PHE 0.72 0.43 1 39 ALA 0.98 2.06 1 40 THR 2.12 -0.34 1 42 SER 0.41 1.29 1 44 HIS 2.58 1.00 1 48 ASN 0.23 -1.52 1 49 ALA -0.82 -0.32 1 50 LEU -0.57 -1.93 1 51 ARG 0.16 -1.16 1 52 LEU -7.30 -3.08 1 53 ASN -3.04 -1.57 1 54 ILE -2.34 -1.77 1 55 TYR -2.39 -0.96 1 58 SER 0.88 0.21 1 59 SER -1.80 -0.99 1 60 GLU 1.62 -0.06 1 63 SER -0.17 -1.15 1 66 LEU -4.36 -2.51 1 67 PHE -0.06 0.06 1 68 VAL -5.90 -3.91 1 69 GLU -4.98 -0.29 1 70 LEU -7.20 -1.83 1 71 ARG 2.36 0.60 1 72 LYS 4.13 0.31 1 73 ASN 0.56 1.27 1 74 VAL 0.74 -0.76 1 75 LEU -1.74 1.60 1 76 VAL 7.92 1.27 1 77 SER 6.25 0.63 1 79 ALA 2.11 1.33 1 80 ILE 6.16 0.68 1 82 TYR 4.43 1.11 1 83 ILE 6.18 1.09 1 84 LEU 1.11 0.15 1 85 LEU 3.73 0.19 1 86 GLN 3.99 1.27 1 87 TYR 4.27 3.12 1 88 VAL 4.26 4.02 1 89 ASN 3.69 2.88 1 90 GLN 2.88 -1.25 1 91 GLN 4.53 -0.75 1 92 LEU 4.52 -1.60 1 96 ILE 0.57 0.49 1 97 GLU 0.83 0.65 1 98 ASP 5.31 3.12 1 99 GLU 2.71 -1.57 1 100 ALA -1.29 0.30 1 101 GLN 4.59 -1.73 1 104 ASN 3.07 0.04 1 106 TRP -5.24 -2.91 1 107 ASN -4.93 -1.48 1 108 LEU -3.91 -1.81 1 109 ARG -6.10 -0.64 1 110 ILE 1.11 0.06 1 111 VAL -4.96 -0.32 1 112 GLU -1.38 0.61 1 113 ASP 3.06 0.04 1 114 ASP 0.34 0.23 1 116 GLU -1.40 -0.33 1 117 LEU 1.09 -0.82 1 118 ASP -1.11 1.54 1 119 GLU 1.77 -0.06 1 120 ASP 1.01 -0.47 1 123 ALA 1.00 -0.76 1 125 ASP 0.34 1.28 1 126 ARG 3.06 1.17 1 127 VAL 0.60 -1.03 1 130 LEU 1.37 0.52 1 131 SER 2.81 0.86 1 132 LYS 2.21 -0.01 1 133 PHE 2.06 0.21 1 135 PHE -3.96 -1.14 1 136 ASP -1.07 -1.54 1 137 ALA -5.11 -3.16 1 138 PHE -7.68 -2.42 1 139 ALA -4.05 -2.21 1 140 LEU -2.51 -1.89 1 141 VAL -6.30 -1.30 1 142 LYS 2.22 0.32 1 143 ALA -0.16 0.98 1 146 ALA 3.58 2.93 1 147 GLN 4.03 2.06 1 148 ILE 5.25 1.59 1 149 LYS 4.12 3.15 1 150 GLU 2.59 2.63 1 151 ASN 4.77 1.88 1 152 GLN 2.58 1.39 1 154 ALA 0.56 -0.21 1 157 PHE -0.56 -1.59 1 158 LYS -0.35 -1.56 1 159 SER 0.51 -1.12 1 stop_ save_